10-hydroxyimidazo[2,1-a]isoquinoline-2-carboxylic acid

C12H8N2O3 — CID 136999661

IUPAC10-hydroxyimidazo[2,1-a]isoquinoline-2-carboxylic acid
SMILESO=C(O)c1cn2ccc3cccc(O)c3c2n1
InChIInChI=1S/C12H8N2O3/c15-9-3-1-2-7-4-5-14-6-8(12(16)17)13-11(14)10(7)9/h1-6,15H,(H,16,17)
InChIKeyNXMGMCNGRLEVML-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.89
Rot. Bonds1

About 10-hydroxyimidazo[2,1-a]isoquinoline-2-carboxylic acid

10-hydroxyimidazo[2,1-a]isoquinoline-2-carboxylic acid (PubChem CID 136999661) has the molecular formula C12H8N2O3 and a molecular weight of 228.21 g/mol. Its IUPAC name is 10-hydroxyimidazo[2,1-a]isoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name10-hydroxyimidazo[2,1-a]isoquinoline-2-carboxylic acid
PubChem CID136999661
Molecular FormulaC12H8N2O3
Molecular Weight228.21 g/mol
Exact Mass228.05
IUPAC Name10-hydroxyimidazo[2,1-a]isoquinoline-2-carboxylic acid
SMILESO=C(O)c1cn2ccc3cccc(O)c3c2n1
InChIInChI=1S/C12H8N2O3/c15-9-3-1-2-7-4-5-14-6-8(12(16)17)13-11(14)10(7)9/h1-6,15H,(H,16,17)
InChIKeyNXMGMCNGRLEVML-UHFFFAOYSA-N
XLogP1.89
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-methylimidazo[2,1-a]isoquinoline-2-carboxylic acid
CID 115035431
9-chloroimidazo[2,1-a]isoquinoline-2-carboxylic acid
CID 115045910
2-(10-methylimidazo[2,1-a]isoquinolin-2-yl)acetic acid
CID 115043562
imidazo[1,2-a]pyridine-2,7-dicarboxylic acid
CID 19701499
7-(1-chlorocyclopropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 91062250
7-(2-phenylethynyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 68667204
imidazo[1,2-a]pyridine-2-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 159608487
8-(3-phenylpropoxy)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82055693
2-bromo-10-fluoroimidazo[2,1-a]isoquinoline
CID 115049280
8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 90487994
8-(2-oxo-2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82055667
8-(5-azaspiro[2.4]heptan-5-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 166378478

Frequently Asked Questions

What is the IUPAC name of 10-hydroxyimidazo[2,1-a]isoquinoline-2-carboxylic acid?
The IUPAC name of 10-hydroxyimidazo[2,1-a]isoquinoline-2-carboxylic acid (CID 136999661) is 10-hydroxyimidazo[2,1-a]isoquinoline-2-carboxylic acid.
What is the SMILES notation for 10-hydroxyimidazo[2,1-a]isoquinoline-2-carboxylic acid?
The canonical SMILES for 10-hydroxyimidazo[2,1-a]isoquinoline-2-carboxylic acid is O=C(O)c1cn2ccc3cccc(O)c3c2n1.
What is the InChIKey of 10-hydroxyimidazo[2,1-a]isoquinoline-2-carboxylic acid?
The InChIKey is NXMGMCNGRLEVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3/c15-9-3-1-2-7-4-5-14-6-8(12(16)17)13-11(14)10(7)9/h1-6,15H,(H,16,17).
What are the key properties of 10-hydroxyimidazo[2,1-a]isoquinoline-2-carboxylic acid?
10-hydroxyimidazo[2,1-a]isoquinoline-2-carboxylic acid has a molecular weight of 228.21 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxyimidazo[2,1-a]isoquinoline-2-carboxylic acid is sourced from PubChem (CID 136999661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).